SCHEMBL3434420

SCHEMBL3434420

Cc1nc2c(c(-c3ccccc3)c1C(=O)N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)[nH]c(=O)n2-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNA1C Q13936 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 5/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR2E1 Q9Y466 1/20 0.36
MAOB P27338 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13014413 0.73 ALDH1A1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL3434370 0.70 CACNA2D1 (0.40) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL13014262 0.67 ALDH1A1 (0.47) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL31350717 0.63 MAOB (0.80) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL13013567 0.63 MAOB (0.44) ALDH1A1MEN1KMT2AUSP2CYP3A4
SCHEMBL13014207 0.62 LMNA (0.38) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL13013572 0.62 KMT2A (0.37) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL31350944 0.62 MAOB (0.56) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL7247169 0.61 SIGMAR1 (0.53) ALDH1A1KMT2AMAPTGAANPSR1
SCHEMBL31023878 0.61 CACNA2D1 (0.65) CACNA2D1CACNA1BCACNB1CACNA1CMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010149786-A1 PYRIDO [2, 3-D] PYRIMIDINES AS WNT ANTAGONISTS FOR TREATMENT OF CANCER AND ARTHRITIS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2010-12-29 WO disclosed
WO-2010149786-A1 PYRIDO [2, 3-D] PYRIMIDINES AS WNT ANTAGONISTS FOR TREATMENT OF CANCER AND ARTHRITIS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2010-12-29 WO disclosed
EP-2266984-A1 Pyrido[2,3-d]pyrimidines as Wnt antagonists for treatment of cancer and arthritis Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2010-12-29 EP disclosed